N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide

C23H21FN6O2 — CID 46952561

IUPACN-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide
SMILESO=C(CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21)NCc1ccccc1F
InChIInChI=1S/C23H21FN6O2/c24-19-10-5-4-7-16(19)13-26-20(31)15-29-22-18(21-25-11-6-12-28(21)23(29)32)14-27-30(22)17-8-2-1-3-9-17/h1-5,7-10,14H,6,11-13,15H2,(H,26,31)
InChIKeyCNLIKGRVTAMHIN-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.72
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide

N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide (PubChem CID 46952561) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide
PubChem CID46952561
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide
SMILESO=C(CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21)NCc1ccccc1F
InChIInChI=1S/C23H21FN6O2/c24-19-10-5-4-7-16(19)13-26-20(31)15-29-22-18(21-25-11-6-12-28(21)23(29)32)14-27-30(22)17-8-2-1-3-9-17/h1-5,7-10,14H,6,11-13,15H2,(H,26,31)
InChIKeyCNLIKGRVTAMHIN-UHFFFAOYSA-N
XLogP2.72
TPSA82.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide (CID 46952561) is N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide is O=C(CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide?
The InChIKey is CNLIKGRVTAMHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c24-19-10-5-4-7-16(19)13-26-20(31)15-29-22-18(21-25-11-6-12-28(21)23(29)32)14-27-30(22)17-8-2-1-3-9-17/h1-5,7-10,14H,6,11-13,15H2,(H,26,31).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide?
N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide has a molecular weight of 432.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide is sourced from PubChem (CID 46952561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).